Geometry & MOs

Info

ID:	380132
PubChem CID:	134965085
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	250.155552
ΔH_f, kcal/mol:	-13.57
Dipole, Da:	1.15
IP(EA), eV:	-9.05(0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl (2R)-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CCC[C@](C)(C=C)C1=CC=CO1)C

DOS

IR

Vibrations